N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide

C10H10ClF2N3O2 — CID 83081905

IUPACN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
SMILESCC(Nc1c(F)cc(F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H10ClF2N3O2/c1-4(9(17)16-10(14)18)15-8-6(11)2-5(12)3-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18)
InChIKeyQSECULRUPWADSO-UHFFFAOYSA-N
MW277.66 g/mol
LogP1.61
Rot. Bonds3

About N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide

N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide (PubChem CID 83081905) has the molecular formula C10H10ClF2N3O2 and a molecular weight of 277.66 g/mol. Its IUPAC name is N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
PubChem CID83081905
Molecular FormulaC10H10ClF2N3O2
Molecular Weight277.66 g/mol
Exact Mass277.04
IUPAC NameN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
SMILESCC(Nc1c(F)cc(F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H10ClF2N3O2/c1-4(9(17)16-10(14)18)15-8-6(11)2-5(12)3-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18)
InChIKeyQSECULRUPWADSO-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
CID 55118208
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
CID 82889170
(2S)-N-carbamoyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]propanamide
CID 8639441
N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
CID 103585757
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide (CID 83081905) is N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide is CC(Nc1c(F)cc(F)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide?
The InChIKey is QSECULRUPWADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O2/c1-4(9(17)16-10(14)18)15-8-6(11)2-5(12)3-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide?
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide has a molecular weight of 277.66 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide is sourced from PubChem (CID 83081905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).